2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine

C30H19ClF4N2 — CID 146319497

IUPAC2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine
SMILESFc1ccc(N(c2ccc(F)cc2)c2cccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C30H19ClF4N2/c31-30-28(36(24-12-4-20(32)5-13-24)25-14-6-21(33)7-15-25)2-1-3-29(30)37(26-16-8-22(34)9-17-26)27-18-10-23(35)11-19-27/h1-19H
InChIKeyNOCZFFNAEMCPAV-UHFFFAOYSA-N
MW518.94 g/mol
LogP9.84
Rot. Bonds6

About 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine

2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine (PubChem CID 146319497) has the molecular formula C30H19ClF4N2 and a molecular weight of 518.94 g/mol. Its IUPAC name is 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine
PubChem CID146319497
Molecular FormulaC30H19ClF4N2
Molecular Weight518.94 g/mol
Exact Mass518.12
IUPAC Name2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine
SMILESFc1ccc(N(c2ccc(F)cc2)c2cccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C30H19ClF4N2/c31-30-28(36(24-12-4-20(32)5-13-24)25-14-6-21(33)7-15-25)2-1-3-29(30)37(26-16-8-22(34)9-17-26)27-18-10-23(35)11-19-27/h1-19H
InChIKeyNOCZFFNAEMCPAV-UHFFFAOYSA-N
XLogP9.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.94
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine?
The IUPAC name of 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine (CID 146319497) is 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine?
The canonical SMILES for 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine is Fc1ccc(N(c2ccc(F)cc2)c2cccc(N(c3ccc(F)cc3)c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine?
The InChIKey is NOCZFFNAEMCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClF4N2/c31-30-28(36(24-12-4-20(32)5-13-24)25-14-6-21(33)7-15-25)2-1-3-29(30)37(26-16-8-22(34)9-17-26)27-18-10-23(35)11-19-27/h1-19H.
What are the key properties of 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine?
2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine has a molecular weight of 518.94 g/mol, XLogP of 9.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine is sourced from PubChem (CID 146319497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).